In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 3rd, 2008 | 31 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.40 | -0.22 | -29.97 | 2 | 12 | 0 | 165 | 472.501 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.40 | -0.64 | -67.45 | 1 | 12 | -1 | 167 | 471.493 | 7 | ↓ |